ChemSpider 2D Image | 3-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide | C15H23N7O4

3-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide

  • Molecular FormulaC15H23N7O4
  • Average mass365.388 Da
  • Monoisotopic mass365.181152 Da
  • ChemSpider ID23334919

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamid [German] [ACD/IUPAC Name]
3-[{[(2R,3S,4R,5R)-5-(6-Amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}(methyl)amino]propanamide [ACD/IUPAC Name]
3-[{[(2R,3S,4R,5R)-5-(6-Amino-8-méthyl-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}(méthyl)amino]propanamide [French] [ACD/IUPAC Name]
3-[{[(2r,3s,4r,5r)-5-(6-Amino-8-Methyl-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl}(Methyl)amino]propanamide
Adenosine, 5'-[(3-amino-3-oxopropyl)methylamino]-5'-deoxy-8-methyl- [ACD/Index Name]
3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name)
5'-[(2-Carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine
AdoMet substrate analogue, 17d
C8M
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462656/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 760.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.5±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 88.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 75.6±7.0 dyne/cm
Molar Volume: 214.4±7.0 cm3

Click to predict properties on the Chemicalize site


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